Chembase list of 866358 unique molecular structures

7-bromo-4-chloro-2-(chloromethyl)quinazoline

$$$$

M. F.

C9H5BrCl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22191

Database

Data ID

M. W.

291.9594

CAS

573681-19-3

Similarity

N/A

ID: 804952

7-bromo-2-chloro-1,3-benzothiazole

$$$$

M. F.

C7H3BrClNS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22193

Database

Data ID

M. W.

248.52742

CAS

1188227-29-3

Similarity

N/A

ID: 804953

2-chloro-7-nitro-1,3-benzothiazole

$$$$

M. F.

C7H3ClN2O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22194

Database

Data ID

M. W.

214.62892

CAS

2942-22-5

Similarity

N/A

ID: 804954

2,5,6-trichloro-1,3-benzothiazole

$$$$

M. F.

C7H2Cl3NS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22195

Database

Data ID

M. W.

238.52148

CAS

120258-61-9

Similarity

N/A

ID: 804955

(2R,4S)-2,4-dimethylpiperidine-1-carboxylic acid hydrochloride

$$$$

M. F.

C8H16ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22197

Database

Data ID

M. W.

193.67114

CAS

Similarity

N/A

ID: 804956

4-amino-5-chloro-2-methoxy-N-(3-methoxypiperidin-4-yl)benzamide hydrochloride

$$$$

M. F.

C14H21Cl2N3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22198

Database

Data ID

M. W.

350.24084

CAS

221180-26-3

Similarity

N/A

ID: 804957

(3R)-1-benzyl-5-oxopyrrolidine-3-carboxylic acid

$$$$

M. F.

C12H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22199

Database

Data ID

M. W.

219.23652

CAS

Similarity

N/A

ID: 804958

benzyl 4-aminopiperidine-1-carboxylate hydrochloride

$$$$

M. F.

C13H19ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22200

Database

Data ID

M. W.

270.75516

CAS

1159826-41-1

Similarity

N/A

ID: 804959

tert-butyl 4-[4-(benzyloxy)phenyl]piperidine-1-carboxylate

$$$$

M. F.

C23H29NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22201

Database

Data ID

M. W.

367.48126

CAS

936497-89-1

Similarity

N/A

ID: 804960

tert-butyl N-methyl-N-[(2S)-pyrrolidin-2-yl]carbamate

$$$$

M. F.

C10H20N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22203

Database

Data ID

M. W.

200.278

CAS

Similarity

N/A

ID: 804961

N-(3-fluorophenyl)piperidin-4-amine hydrochloride

$$$$

M. F.

C11H16ClFN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22204

Database

Data ID

M. W.

230.7095432

CAS

923565-91-7

Similarity

N/A

ID: 804962

1-heptylpyrrolidin-2-one

$$$$

M. F.

C11H21NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22205

Database

Data ID

M. W.

183.29054

CAS

69343-70-0

Similarity

N/A

ID: 804963

(2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid hydrochloride

$$$$

M. F.

C5H10ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22206

Database

Data ID

M. W.

167.5908

CAS

2584-71-6

Similarity

N/A

ID: 804964

methyl (3R)-piperidine-3-carboxylate

$$$$

M. F.

C7H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22207

Database

Data ID

M. W.

143.18362

CAS

164323-85-7

Similarity

N/A

ID: 804965

1-(morpholin-4-yl)-3-(piperazin-1-yl)propan-1-one dihydrochloride

$$$$

M. F.

C11H23Cl2N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22208

Database

Data ID

M. W.

300.22522

CAS

1159822-74-8

Similarity

N/A

ID: 804966

(1S,2R)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol hydrochloride

$$$$

M. F.

C13H20ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22209

Database

Data ID

M. W.

241.757

CAS

123620-80-4

Similarity

N/A

ID: 804967

1-pentylpyrrolidin-2-one

$$$$

M. F.

C9H17NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22210

Database

Data ID

M. W.

155.23738

CAS

65032-11-3

Similarity

N/A

ID: 804968

methyl 3-iodo-1H-indazole-7-carboxylate

$$$$

M. F.

C9H7IN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22212

Database

Data ID

M. W.

302.06855

CAS

944899-05-2

Similarity

N/A

ID: 804969

2-bromo-5-ethoxypyrazine

$$$$

M. F.

C6H7BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22214

Database

Data ID

M. W.

203.03658

CAS

1060803-83-9

Similarity

N/A

ID: 804970

{2-[(5-bromopyrazin-2-yl)oxy]ethyl}dimethylamine

$$$$

M. F.

C8H12BrN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22215

Database

Data ID

M. W.

246.10438

CAS

Similarity

N/A

ID: 804971

1-(2-chloropyrimidin-4-yl)azepane

$$$$

M. F.

C10H14ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22216

Database

Data ID

M. W.

211.69126

CAS

141924-04-1

Similarity

N/A

ID: 804972

[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C10H11N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22223

Database

Data ID

M. W.

189.21384

CAS

Similarity

N/A

ID: 804973

[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C10H11N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22224

Database

Data ID

M. W.

189.21384

CAS

Similarity

N/A

ID: 804974

[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C10H11N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22225

Database

Data ID

M. W.

205.21324

CAS

944897-80-7

Similarity

N/A

ID: 804975

[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C10H11N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22226

Database

Data ID

M. W.

205.21324

CAS

Similarity

N/A

ID: 804976

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C10H11N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22227

Database

Data ID

M. W.

205.21324

CAS

Similarity

N/A

ID: 804977

[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C9H8ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22228

Database

Data ID

M. W.

209.63232

CAS

Similarity

N/A

ID: 804978

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C9H8ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22229

Database

Data ID

M. W.

209.63232

CAS

Similarity

N/A

ID: 804979

[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanamine

$$$$

M. F.

C9H8FN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22230

Database

Data ID

M. W.

193.1777232

CAS

Similarity

N/A

ID: 804980

N-[(4aR,7R,8R,8aR)-8-benzoyl-6,8-dihydroxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1...

$$$$

M. F.

C22H23NO7

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22234

Database

Data ID

M. W.

413.42052

CAS

Similarity

N/A

ID: 804981

2-bromo-5-(chloromethyl)-1,3-thiazole

$$$$

M. F.

C4H3BrClNS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22235

Database

Data ID

M. W.

212.49532

CAS

823816-08-6

Similarity

N/A

ID: 804982

(2,6-dichloropyridin-4-yl)boronic acid

$$$$

M. F.

C5H4BCl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22236

Database

Data ID

M. W.

191.80776

CAS

1072951-54-2

Similarity

N/A

ID: 804983

3-methoxy-6-methylpyridazine

$$$$

M. F.

C6H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22237

Database

Data ID

M. W.

124.14052

CAS

17644-83-6

Similarity

N/A

ID: 804984

tert-butyl N-(5-amino-1,3-thiazol-2-yl)carbamate

$$$$

M. F.

C8H13N3O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22239

Database

Data ID

M. W.

215.27272

CAS

1196155-57-3

Similarity

N/A

ID: 804985

tert-butyl N-[4-(benzyloxy)-2-methylphenyl]carbamate

$$$$

M. F.

C19H23NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22241

Database

Data ID

M. W.

313.39082

CAS

1196153-12-4

Similarity

N/A

ID: 804986

(8aR)-octahydropyrrolo[1,2-a]piperazine

$$$$

M. F.

C7H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22242

Database

Data ID

M. W.

126.19946

CAS

93643-24-4

Similarity

N/A

ID: 804987

4-chloro-7-methylquinoline

$$$$

M. F.

C10H8ClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22243

Database

Data ID

M. W.

177.63022

CAS

63136-61-8

Similarity

N/A

ID: 804988

3-[3,4-bis(acetyloxy)phenyl]-2-acetamidoprop-2-enoic acid

$$$$

M. F.

C15H15NO7

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22252

Database

Data ID

M. W.

321.2821

CAS

65329-03-5

Similarity

N/A

ID: 804989

3,4-difluoro-1H-pyrrole

$$$$

M. F.

C4H3F2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22255

Database

Data ID

M. W.

103.0701264

CAS

120047-51-0

Similarity

N/A

ID: 804990

4-(piperazin-1-yl)-2-(trifluoromethyl)pyrimidine

$$$$

M. F.

C9H11F3N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22258

Database

Data ID

M. W.

232.2056496

CAS

503146-12-1

Similarity

N/A

ID: 804991

5-chloro-2-(trifluoromethyl)pyrimidine

$$$$

M. F.

C5H2ClF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22259

Database

Data ID

M. W.

182.5309896

CAS

845618-08-8

Similarity

N/A

ID: 804992

4-chloropyrimidine-5-carboxylic acid

$$$$

M. F.

C5H3ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22264

Database

Data ID

M. W.

158.54252

CAS

933686-33-0

Similarity

N/A

ID: 804993

1-[2-hydroxy-6-(trifluoromethyl)pyridin-3-yl]ethan-1-one

$$$$

M. F.

C8H6F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22265

Database

Data ID

M. W.

205.1339496

CAS

Similarity

N/A

ID: 804994

3-[(4-bromophenyl)amino]propanoic acid

$$$$

M. F.

C9H10BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22268

Database

Data ID

M. W.

244.0852

CAS

90561-83-4

Similarity

N/A

ID: 804995

1-(2-methyl-1H-imidazol-5-yl)ethan-1-one

$$$$

M. F.

C6H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22269

Database

Data ID

M. W.

124.14052

CAS

Similarity

N/A

ID: 804996

6-(pyridin-3-yl)pyridin-2-amine

$$$$

M. F.

C10H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22271

Database

Data ID

M. W.

171.19856

CAS

39883-47-1

Similarity

N/A

ID: 804997

6-aminopyridine-3-carbaldehyde

$$$$

M. F.

C6H6N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22273

Database

Data ID

M. W.

122.12464

CAS

69879-22-7

Similarity

N/A

ID: 804998

2-chloropyridine-3,5-diamine

$$$$

M. F.

C5H6ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22275

Database

Data ID

M. W.

143.57424

CAS

5632-81-5

Similarity

N/A

ID: 804999

1-cyclohexylpiperidin-4-amine dihydrochloride

$$$$

M. F.

C11H24Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22278

Database

Data ID

M. W.

255.22766

CAS

1196154-81-0

Similarity

N/A

ID: 805000

3-[(3-methoxyphenyl)methyl]piperidine hydrochloride

$$$$

M. F.

C13H20ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O22279

Database

Data ID

M. W.

241.757

CAS

179480-58-1

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified